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6β-Methyl-3,20-dioxopregn-4-en-17-yl acetate.

ABSTRACT: The title compound, C(24)H(34)O(4), is a precursor of Megestrol acetate. Ring A has a half-chair conformation [Q = 0.446 (3) Å, θ = 54.6 (4)° and ϕ = 9.5 (4)°]. Ring D adopts a 13β-envelope conformation [Q = 0.463 (2) Å and ϕ = 188.2 (3)°].

SUBMITTER: Chen L

PROVIDER: S-EPMC3343965 | biostudies-literature |

REPOSITORIES: biostudies-literature

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5α-Androst-3-en-17β-yl acetate.

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17?-Acet-oxy-11?-hy-droxy-6?-methyl-pregn-4-ene-3,20-dione.

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Methyl 2-(5-methyl-3-methyl-sulfinyl-1-benzofuran-2-yl)acetate.

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Methyl 2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetate.

Project description:In the crystal of the title compound, C7H9N3O4, mol-ecules are linked by weak C-H⋯O hydrogen bonds into chains along the a-axis direction. The dihedral angle between the ring and the nitro group is 3.03 (6), while that between the ring and the acetate group is 85.01 (3)°.

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Project description:In the title compound, C(18)H(16)O(4)S, the 4-hydroxy-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 34.52?(6)°. The methyl group of the methyl-sulfanyl substituent is almost perpendicular to the plane of the benzofuran fragment [100.90?(8)°] and is slightly tilted towards it. The crystal structure is stabilized by inter-molecular O-H?O hydrogen bonds, and by inter-molecular C-H?? inter-actions between a methyl H atom of the methyl-sulfanyl substituent and the 4-hydroxy-phenyl ring.

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Methyl 2-(5-chloro-3-methyl-sulfinyl-1-benzofuran-2-yl)acetate.

Project description:The title compound, C(12)H(11)ClO(4)S, was prepared by the oxidation of methyl 2-(5-chloro-3-methyl-sulfanyl-1-benzofuran-2-yl)acetate with 3-chloro-peroxy-benzoic acid. The O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by aromatic ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-to-centroid distance = 3.809?(2)?Å], and by C-H?? inter-actions between a methyl H atom and the furan ring of an adjacent mol-ecule. In addition, the crystal structure exhibits inter-molecular C-H?O hydrogen bonds.

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